Molecule

ID:3188

General Information
Structure
MolImage
Molecular Formula
C₃H₅O₂S-
Molecular Mass
105.1356
Exact Mass
105.0010254
Charge
-1
InChI
InChI=1S/C3H6O2S/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)/p-1
InChIKey
HGTBAIVLETUVCG-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)CSC
Isomeric Smiles
CSCC(=O)[O-]
Calculated Properties
JChem
LogD (pH = 7.4)
-2.52
LogD (pH = 5.5)
-0.77
Log P
0.39
Rotatable Bonds
2
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
4.36
Polar Surface Area
40.13
Polarizability
9.75
Molar Refractivity
35.96
LOG S
-0.16
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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